6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole

C15H16O2 — CID 154016190

IUPAC6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole
SMILESCC1(C)CC=C2OCOC2=C1c1ccccc1
InChIInChI=1S/C15H16O2/c1-15(2)9-8-12-14(17-10-16-12)13(15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChIKeySVMLQRBBKAIMTQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.72
Rot. Bonds1

About 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole

6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole (PubChem CID 154016190) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole.

Molecular Properties

Compound Name6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole
PubChem CID154016190
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole
SMILESCC1(C)CC=C2OCOC2=C1c1ccccc1
InChIInChI=1S/C15H16O2/c1-15(2)9-8-12-14(17-10-16-12)13(15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChIKeySVMLQRBBKAIMTQ-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-phenylcyclohexa-1,5-diene-1-carboxylic acid
CID 150890312
2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene
CID 150694996
1,3-benzodioxole;1,1'-biphenyl
CID 161120601
(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589
1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene
CID 139043864
6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene
CID 175201885
2-methoxy-2,5-diphenyl-3H-furan
CID 13263851
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
CID 570712
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
CID 15647321
3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine
CID 159393837
benzene;1,3-benzodioxole
CID 158998325

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole?
The IUPAC name of 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole (CID 154016190) is 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole.
What is the SMILES notation for 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole?
The canonical SMILES for 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole is CC1(C)CC=C2OCOC2=C1c1ccccc1.
What is the InChIKey of 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole?
The InChIKey is SVMLQRBBKAIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(2)9-8-12-14(17-10-16-12)13(15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole?
6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole has a molecular weight of 228.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole is sourced from PubChem (CID 154016190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).